CID 19188

Phenoxyacetic acid

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1=CC=C(C=C1)OCC(=O)O

InChI

InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

InChIKey

LCPDWSOZIOUXRV-UHFFFAOYSA-N

Compound name

2-phenoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 246
References: 36149
Patents: 152.04735 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.05463	128.4
[M+Na]+	175.03657	135.7
[M-H]-	151.04007	130.8
[M+NH4]+	170.08117	148.6
[M+K]+	191.01051	134.6
[M+H-H2O]+	135.04461	122.9
[M+HCOO]-	197.04555	151.7
[M+CH3COO]-	211.06120	171.7
[M+Na-2H]-	173.02202	135.4
[M]+	152.04680	129.0
[M]-	152.04790	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe